| SpectraBase Spectrum ID |
AJUsmFAuXB5 |
| Name |
1H-purine-2,6-dione, 7-[2-(4-bromophenyl)-2-oxoethyl]-8-(hexahydro-1H-azepin-1-yl)-3,7-dihydro-1,3-dimethyl- |
| Copyright |
Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
473.106252650 u |
| Formula |
C21H24BrN5O3 |
| InChI |
InChI=1S/C21H24BrN5O3/c1-24-18-17(19(29)25(2)21(24)30)27(13-16(28)14-7-9-15(22)10-8-14)20(23-18)26-11-5-3-4-6-12-26/h7-10H,3-6,11-13H2,1-2H3 |
| InChIKey |
BMMWWCMFZYMYBH-UHFFFAOYSA-N |
| Molecular Weight |
474.359 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_13043 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/10270448; Lab Info: POV; Lab Number: POV-0800193 |
![1H-purine-2,6-dione, 7-[2-(4-bromophenyl)-2-oxoethyl]-8-(hexahydro-1H-azepin-1-yl)-3,7-dihydro-1,3-dimethyl-](/api/spectrum/AJUsmFAuXB5/structure.png?h=300&w=458 "1H-purine-2,6-dione, 7-[2-(4-bromophenyl)-2-oxoethyl]-8-(hexahydro-1H-azepin-1-yl)-3,7-dihydro-1,3-dimethyl-")
